2,4-Pentadienoic acid, 5-chloro-2-cyano-5-(4-methylphenyl)-
Basic information
- CAS
62420-93-3- Standard SMILES
Cc1ccc(C(Cl)=CC=C(C#N)C(=O)O)cc1- InChIKey
WRLBQYHACWHRRM-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2
- Average molar mass
- 247.67 g/mol
- Monoisotopic mass
- 247.0400063
Names & identifiers
- Preferred name
- 2,4-Pentadienoic acid, 5-chloro-2-cyano-5-(4-methylphenyl)-
- IUPAC
- 5-chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienoic acid
Names & synonyms
62420-93-32,4-Pentadienoic acid, 5-chloro-2-cyano-5-(4-methylphenyl)-5-chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienoic acidDTXSID60328131
Database identifiers
- CAS
62420-93-3- PubChem CID
- 406779
- DTXSID
DTXSID60328131
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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